SCHEMBL4859809

SCHEMBL4859809

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(Cl)nc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA7 P36544 1/20 0.32
TERT O14746 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB3 Q05901 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4859819 1.00 CHRM4 (0.33) CHRM4CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL315023 0.93 NAAA (0.33) CHRM4CHRNA7
SCHEMBL3398167 0.93 NAAA (0.33) CHRM4CHRNA7
SCHEMBL1972811 0.87 FFAR4 (0.36) CHRM4CHRNA7
SCHEMBL1972812 0.87 FFAR4 (0.36) CHRM4CHRNA7
SCHEMBL4864112 0.86 GRIN1 (0.34) CHRM4CHRNB2CHRNA4
SCHEMBL4864102 0.86 GRIN1 (0.34) CHRM4CHRNB2CHRNA4
SCHEMBL314906 0.86 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL2141911 0.86 HRH3 (0.35)
SCHEMBL2141918 0.86 HRH3 (0.35)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470671-B2 Thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therapeutics LABORATOIRE FOURNIER (FR) 2008-12-30 US disclosed
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 US disclosed
EP-1668021-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2006-06-14 EP disclosed
WO-2005030785-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2005-04-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. NOTUM, STS, AGPS CHRM4 4150/4885CHRNA3 4848/4885CHRNB2 4512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.